⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2888790 | 0.98 | — | — | |
| Ammonia Solution, Strong SCHEMBL11283492 | 0.95 | — | — | |
| Nitric Acid SCHEMBL29191086 | 0.91 | CA5A (0.33) | — | |
| Acetonitrile SCHEMBL28817776 | 0.86 | DPP4 (0.31) | — | |
| SCHEMBL6131355 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL11283489 | 0.81 | — | — | |
| SCHEMBL2890302 | 0.76 | — | — | |
| SCHEMBL5280090 | 0.73 | — | — | |
| SCHEMBL5283879 | 0.73 | — | — | |
| SCHEMBL5281912 | 0.73 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6881847-B2 | Process for the synthesis and recovery of nitramines | ALLIANT TECHSYSTEMS INC. (US) | 2005-04-19 | — | — | US | disclosed |
| US-20040024223-A1 | Process for the synthesis and recovery of nitramines | NORTHROP GRUMMAN SYSTEMS CORPORATION | 2004-02-05 | — | — | US | disclosed |
| US-6603018-B2 | Rockets; propullants | ALLIANT TECHSYSTEMS INC. | 2003-08-05 | — | — | US | disclosed |
| US-20020156291-A1 | Process for the synthesis and recovery of nitramines | ORBITAL ATK, INC. (F/K/A ALLIANT TECHSYSTEMS INC.) | 2002-10-24 | — | — | US | disclosed |
| WO-2002060881-A1 | PROCESS FOR THE SYNTHESIS AND RECOVERY OF NITRAMINES | ALLIANT TECHSYSTEMS INC. (US) | 2002-08-08 | — | — | WO | disclosed |